5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[1-(2-ethylphenyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C16H20O4 MolecularWeight: 276.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C)C2C(=O)OC(OC2=O)(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(C)C2C(=O)OC(OC2=O)(C)C

InChI

InChI=1S/C16H20O4/c1-5-11-8-6-7-9-12(11)10(2)13-14(17)19-16(3,4)20-15(13)18/h6-10,13H,5H2,1-4H3